8CMK

Transportin-3 TNPO3 in complex with RSY region of CIRBP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-05
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.033220
Spacegroup name	P 1 21 1
Unit cell lengths	97.526, 101.805, 114.133
Unit cell angles	90.00, 111.13, 90.00

Refinement procedure

Resolution	48.715 - 2.945
Rwork	0.246
R-free	0.31660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.577
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.720	48.720	3.060
High resolution limit [Å]	2.940	11.020	2.940
Rmerge	0.094	0.044	0.672
Rmeas	0.130	0.061	0.923
Rpim	0.090	0.043	0.629
Number of reflections	43555	876	4458
<I/σ(I)>	8
Completeness [%]	98.5
Redundancy	3.5	3.3	3.5
CC(1/2)	0.996	0.995	0.509

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.5ul Protein (TNPO3) 12mg/ml with 0.2ul Ligand (CIRBP) 4.4mg/ml and 0.1ul seeding stock were mixed with 0.5ul of condition. Condition: 0.1M Sodium HEPES, 0.1M MOPS (acid), 7.5pH, 12.5% v/v MPD; 12.5% PEG 1000; 12.5% w/v PEG 3350, 0.05% w/v D-Salicin, 0.05% w/v Esculin hydrate, 0.05% w/v Quinine hemisulfate salt monohydrate, 0.05% w/v Tryptamine, 0.05% w/v Arbutin (in 50% EtOH) Protein and Ligand in 50mM Tris, 150mM NaCl, 2mM TCEP, 0.04% NaN3, pH: 7.5 Buffer